CID9896057 structure

CID9896057

ethyl (2R)-4-(6-chloronaphthalen-2-yl)sulfonyl-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate;methanesulfonic acid

Also Known As: m55190|M 55165

CAS: 229646-72-4
Molecular Formula C29H35ClN4O8S2
Molecular Weight 666.1585 g/mol
LogP 3.0734
Topological Polar Surface Area 154.49 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 7
Exact Mass 666.1585
Monoisotopic Mass 666.1585
Heavy Atoms 44
Complexity 1690.7843

Chemical Identifiers

CAS Number 229646-72-4
SMILES CCOC(=O)[C@H]1CN(CC(=O)N1CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.CS(=O)(=O)O

Product Overview

CID9896057 (CAS 229646-72-4), with molecular formula C29H35ClN4O8S2 and molecular weight 666.1585 g/mol. IUPAC: ethyl (2R)-4-(6-chloronaphthalen-2-yl)sulfonyl-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate;methanesulfonic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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